1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide

C16H30N2O3S — CID 6471541

IUPAC1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-2-3-12-22(20,21)18-11-7-8-14(13-18)16(19)17-15-9-5-4-6-10-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyIGOZPKSHLUUGFI-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds6

About 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide

1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 6471541) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide
PubChem CID6471541
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-2-3-12-22(20,21)18-11-7-8-14(13-18)16(19)17-15-9-5-4-6-10-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyIGOZPKSHLUUGFI-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide (CID 6471541) is 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide is CCCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is IGOZPKSHLUUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-2-3-12-22(20,21)18-11-7-8-14(13-18)16(19)17-15-9-5-4-6-10-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide?
1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 6471541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).